CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 550.4 ± 50.0 |
|---|---|
| Melting Point | 220-233 |
| Solubility | <1g/mL |
| LogP | 4.31 |
| Caco2 Permeability | 0.5 |
| Dissociation Constants | 11.74±0.70 |
COMPUTED DESCRIPTORS
| Molecular Weight | 454.9 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 454.1043974 g/mol |
| Monoisotopic Mass | 454.1043974 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 631 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-[2-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-3-(5-methyl-3-isoxazolyl)urea is an aromatic ether.